2-[4-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methylacetamide

C22H23N3O4S — CID 18456628

IUPAC2-[4-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(Oc2ccnc3cc(C(=O)N4CCC(OC)C4)sc23)cc1
InChIInChI=1S/C22H23N3O4S/c1-23-20(26)11-14-3-5-15(6-4-14)29-18-7-9-24-17-12-19(30-21(17)18)22(27)25-10-8-16(13-25)28-2/h3-7,9,12,16H,8,10-11,13H2,1-2H3,(H,23,26)
InChIKeyFODKPKCMJSBKPC-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.24
Rot. Bonds6

About 2-[4-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methylacetamide

2-[4-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methylacetamide (PubChem CID 18456628) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is 2-[4-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methylacetamide
PubChem CID18456628
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name2-[4-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(Oc2ccnc3cc(C(=O)N4CCC(OC)C4)sc23)cc1
InChIInChI=1S/C22H23N3O4S/c1-23-20(26)11-14-3-5-15(6-4-14)29-18-7-9-24-17-12-19(30-21(17)18)22(27)25-10-8-16(13-25)28-2/h3-7,9,12,16H,8,10-11,13H2,1-2H3,(H,23,26)
InChIKeyFODKPKCMJSBKPC-UHFFFAOYSA-N
XLogP3.24
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide
CID 10050758
6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-2-propan-2-yl-1-benzofuran-3-carboxamide
CID 10005904
1-[2-ethyl-6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-yl]propan-1-one
CID 23572867
2-[4-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-isoquinolin-3-ylacetamide
CID 11409880
2-[4-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-isoquinolin-3-ylacetamide
CID 18456560
N-(3-hydroxypropyl)-6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide
CID 59990759
4-fluoro-5-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
CID 20746006
[5-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carbonyl]-prop-2-ynylazanium
CID 142802089
2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-(6-methoxy-3-pyridinyl)acetamide
CID 18456607
5-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
CID 10288344
2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-(1,3-benzothiazol-6-yl)acetamide
CID 18456609
N-cyclopropyl-5-[2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide;N-(4-hydroxybut-2-ynyl)-5-[2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide;5-[2-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide;5-[2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-N-prop-2-ynylindole-1-carboxamide;5-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
CID 158215569

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methylacetamide?
The IUPAC name of 2-[4-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methylacetamide (CID 18456628) is 2-[4-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methylacetamide?
The canonical SMILES for 2-[4-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methylacetamide is CNC(=O)Cc1ccc(Oc2ccnc3cc(C(=O)N4CCC(OC)C4)sc23)cc1.
What is the InChIKey of 2-[4-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methylacetamide?
The InChIKey is FODKPKCMJSBKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-23-20(26)11-14-3-5-15(6-4-14)29-18-7-9-24-17-12-19(30-21(17)18)22(27)25-10-8-16(13-25)28-2/h3-7,9,12,16H,8,10-11,13H2,1-2H3,(H,23,26).
What are the key properties of 2-[4-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methylacetamide?
2-[4-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methylacetamide has a molecular weight of 425.51 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methylacetamide is sourced from PubChem (CID 18456628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).